SCHEMBL521393

SCHEMBL521393

N#CC1(c2ccc([N+](=O)[O-])cc2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
PGR P06401 1/20 0.44
SCD O00767 1/20 0.41
KCNJ1 P48048 2/20 0.39
KCNH2 Q12809 2/20 0.39
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.36
VCAM1 P19320 1/20 0.36
OPRM1 P35372 1/20 0.36
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1769324 0.89 PGR (0.46) SIRT6PGRSCDVCAM1OPRM1
SCHEMBL2814643 0.85 ALDH1A1 (0.44) PGRSCDOPRM1
SCHEMBL3047350 0.85 PGR (0.43) PGRSCDOPRM1
SCHEMBL2815633 0.84 ALDH1A1 (0.43) PGRSCDOPRM1
SCHEMBL2876866 0.81 PDE4A (0.41) PGRSCDOPRM1
SCHEMBL3897910 0.81 L3MBTL1 (0.44) SIRT6PGRSCDKCNJ1CTSL
SCHEMBL5475184 0.80 SCD (0.42) SIRT6PGRSCDOPRM1
SCHEMBL2302830 0.75 OPRM1 (0.40) OPRM1
SCHEMBL651535 0.75 OPRM1 (0.58) OPRM1
SCHEMBL3151326 0.75 OPRM1 (0.58) OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
US-9394289-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-07-19 US disclosed
EP-2016070-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-13 EP disclosed
EP-2016070-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-01-13 EP disclosed
CN-101472914-B C-FMS kinase inhibitors JANSSEN PHARMACEUTICA NV 2015-05-20 CN disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20140378457-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-12-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
CN-101472914-A C-FMS kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 CN disclosed
EP-2016070-A1 INHIBITORS OF C-FMS KINASE Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP disclosed
WO-2007124319-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
WO-2007124319-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249680-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140378457-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES ADRB1 2710/4885SIRT6 4656/4885PGR 1322/4885
US-20070249680-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES ADRB1 2710/4885SIRT6 4656/4885PGR 1322/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ADRB1 3478/4885SIRT6 3364/4885PGR 2631/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.